1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
12622
Reference
1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-prop-2-enylurea
ID: Reference12622
Other Names: NAT17-347200
Formula: C20H28N4O4
Spectral Data
1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 870 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/30/2023 7:36:26 AM |
Identificators
| InChI | InChI=1S/C20H28N4O4/c1-2-8-21-20(26)22-16-15-13-27-19(28-15)17(18(16)25)24-11-9-23(10-12-24)14-6-4-3-5-7-14/h2-7,15-19,25H,1,8-13H2,(H2,21,22,26)/t15-,16-,17-,18+,19-/m1/s1 |
| InChI Key | XCNQJYBQNRLOFL-IEWDOMPSSA-N |
| Canonical SMILES | C=CCNC(=O)NC1C2COC(O2)C(C1O)N3CCN(CC3)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT17-347200 |